1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide

C13H20N2OS — CID 113311585

IUPAC1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(Cc1cccs1)NC(=O)C1(CN)CCC1
InChIInChI=1S/C13H20N2OS/c1-10(8-11-4-2-7-17-11)15-12(16)13(9-14)5-3-6-13/h2,4,7,10H,3,5-6,8-9,14H2,1H3,(H,15,16)
InChIKeyKNMUSSPZARXKCL-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.92
Rot. Bonds5

About 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 113311585) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID113311585
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(Cc1cccs1)NC(=O)C1(CN)CCC1
InChIInChI=1S/C13H20N2OS/c1-10(8-11-4-2-7-17-11)15-12(16)13(9-14)5-3-6-13/h2,4,7,10H,3,5-6,8-9,14H2,1H3,(H,15,16)
InChIKeyKNMUSSPZARXKCL-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 76994554
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
4-(N'-hydroxycarbamimidoyl)-N-(1-thiophen-2-ylpropan-2-yl)oxane-4-carboxamide
CID 76994556
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81490077
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80502048

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide (CID 113311585) is 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide is CC(Cc1cccs1)NC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is KNMUSSPZARXKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(8-11-4-2-7-17-11)15-12(16)13(9-14)5-3-6-13/h2,4,7,10H,3,5-6,8-9,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 113311585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).